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CAS 2452300-89-7 (2S,3R,4R,5S,6R)-2-(3-(4-ethoxybenzyl)phenyl)-6-(hydroxyl methyl)tetrahydro-2H-pyran-3,4,5-triol molecular structure lightbox
CAS RN: 2452300-89-7

(2S,3R,4R,5S,6R)-2-(3-(4-ethoxybenzyl)phenyl)-6-(hydroxyl methyl)tetrahydro-2H-pyran-3,4,5-triol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260519 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2452300-89-7
  • Purity/Analytical Methods: >99.0%
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2452300-89-7 / (2S,3R,4R,5S,6R)-2-[3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 2452300-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2452300-89-7
Multi CAS
Yes
Molecular Formula
C21H26O6
Molecular Weight
374.400000
Exact Mass
374.172939
InChI
InChI=1S/C21H26O6/c1-2-26-16-8-6-13(7-9-16)10-14-4-3-5-15(11-14)21-20(25)19(24)18(23)17(12-22)27-21/h3-9,11,17-25H,2,10,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
InChIKey
HHFUVJANCPRMHI-ADAARDCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
4
Molar refractivity
99.58
TPSA
99.38

LogP / Solubility

WLOGP
1.19
MLOGP
1.07
XLogP3
1.7
Consensus LogP
1.32
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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